Design of multi-phase and catalytic chemical reactors: a simulation tool for pollution prevention

Abstract.

A comprehensive chemical reactor analysis tool was required to complete a project to develop an advanced on-line process optimization analysis system for pollution prevention. The advanced process analysis system integrates programs (reactors, on-line optimization, pinch analysis, and process flow-sheeting) to analyze and modify chemical processes for waste minimization. The reactor analysis program is to be used to evaluate and analyze multi-phase and catalytic reactors to suggest to the plant and process engineers the best reactor type and operating conditions. A multi-phase catalytic reactor design and analysis tool, ReaCat, has been developed. ReaCat incorporates models to design the following reactor types: plug flow, CSTR, batch, catalytic fixed-bed, catalytic fluidized-bed, gas–liquid stirred tank, trickle-bed, three-phase fixed bubble-bed, bubble slurry column, CSTR slurry, and three-phase fluidized-bed. This paper gives a summary of the multi-phase and catalytic reactors: classifications, theory and design models, numerical methods, and solution algorithms. A description of the reactor analysis tool including comparison cases with experimental data is presented.